SCHEMBL5639237

SCHEMBL5639237

Cc1cccc(C)c1CN1CCCC[C@H](NC(=O)O)C1=O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 1/20 0.50
▸ F10 P00742 3/20 0.47
▸ ACE P12821 6/20 0.46
▸ MME P08473 1/20 0.46
▸ APP P05067 1/20 0.46
▸ SRC P12931 4/20 0.45
▸ RAMP1 O60894 2/20 0.43
▸ CALCRL Q16602 2/20 0.43
▸ XIAP P98170 2/20 0.42
▸ TPSAB1 Q15661 1/20 0.42
▸ TPSD1 Q9BZJ3 1/20 0.42
▸ TPSG1 Q9NRR2 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6797136 0.85 F10 (0.46) NPY1RF10ACEMMEAPP
SCHEMBL5639922 0.84 NPY1R (0.39) NPY1RF10ACEMMEAPP
SCHEMBL5637435 0.83 NPY1R (0.58) NPY1RACEMMEAPPSRC
SCHEMBL5639916 0.82 NPY1R (0.39) NPY1RF10ACEMMEAPP
SCHEMBL7950295 0.79 SRC (0.67) NPY1RAPPSRCTPSAB1TPSD1
SCHEMBL21143944 0.78 ACE (0.44) NPY1RF10ACEMMEAPP
SCHEMBL5638958 0.78 ACE (0.44) NPY1RF10ACEMMEAPP
SCHEMBL5638930 0.78 SIRT1 (0.40) NPY1R
SCHEMBL5637803 0.78 SRC (0.52) NPY1RACEMMEAPPSRC
SCHEMBL5638151 0.78 SRC (0.49) NPY1RACEMMEAPPSRC

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7220856-B2 Substituted quinoline CCR5 receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2007-05-22 — — US disclosed
US-20040072818-A1 Substituted quinoline CCR5 receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2004-04-15 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040072818-A1 Substituted quinoline CCR5 receptor antagonists CCR5, CXCR3, CCR2 NPY1R 265/4885F10 4667/4885ACE 1267/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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